./iterations/neb0_image08_iter268_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.374287131188E+03 0.37429E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.405807971669E+01 -0.37023E+03 -0.35792E+03 869 0.196E+02
DAV: 3 -0.967249672705E+02 -0.10078E+03 -0.10046E+03 669 0.117E+02
DAV: 4 -0.101268066790E+03 -0.45431E+01 -0.45305E+01 712 0.285E+01
DAV: 5 -0.101355709985E+03 -0.87643E-01 -0.87596E-01 728 0.360E+00 0.227E+01
DAV: 6 -0.926573312624E+02 0.86984E+01 -0.31037E+01 714 0.300E+01 0.119E+01
DAV: 7 -0.917905781960E+02 0.86675E+00 -0.17194E+00 728 0.612E+00 0.480E+00
DAV: 8 -0.914157856459E+02 0.37479E+00 -0.53602E-01 720 0.394E+00 0.162E+00
DAV: 9 -0.913352407135E+02 0.80545E-01 -0.13258E-01 728 0.155E+00 0.421E-01
DAV: 10 -0.913271954853E+02 0.80452E-02 -0.46328E-02 760 0.111E+00 0.306E-01
DAV: 11 -0.913322163593E+02 -0.50209E-02 -0.15463E-02 616 0.648E-01 0.159E-01
DAV: 12 -0.913349789455E+02 -0.27626E-02 -0.30221E-03 626 0.237E-01 0.114E-01
DAV: 13 -0.913387871015E+02 -0.38082E-02 -0.30006E-03 639 0.286E-01 0.611E-02
DAV: 14 -0.913419786100E+02 -0.31915E-02 -0.10002E-03 664 0.180E-01 0.285E-02
DAV: 15 -0.913433817821E+02 -0.14032E-02 -0.18449E-04 672 0.714E-02 0.171E-02
DAV: 16 -0.913444315176E+02 -0.10497E-02 -0.14781E-04 631 0.672E-02 0.108E-02
DAV: 17 -0.913447785226E+02 -0.34701E-03 -0.30634E-05 616 0.263E-02 0.973E-03
DAV: 18 -0.913448934296E+02 -0.11491E-03 -0.15195E-05 464 0.272E-02 0.469E-03
DAV: 19 -0.913450201698E+02 -0.12674E-03 -0.18147E-05 500 0.174E-02 0.425E-03
DAV: 20 -0.913450342348E+02 -0.14065E-04 -0.18207E-06 528 0.934E-03 0.214E-03
DAV: 21 -0.913450556417E+02 -0.21407E-04 -0.50091E-06 403 0.133E-02 0.241E-03
DAV: 22 -0.913450577687E+02 -0.21270E-05 -0.88496E-07 512 0.578E-03
1 F= -.91345058E+02 E0= -.91350148E+02 d E =0.152694E-01